![(2sr,4S,5S)-5-{[(tert-butyldiphenylsilyl)oxy]methyl}-4-(but-3-ynyl)-1-tosylpyrrolidin-2-ol](/api/spectrum/3GIl1EByTMx/structure.png?h=300&w=458 "(2sr,4S,5S)-5-{[(tert-butyldiphenylsilyl)oxy]methyl}-4-(but-3-ynyl)-1-tosylpyrrolidin-2-ol")
| SpectraBase Compound ID | Am6epzDVQT3 |
|---|---|
| InChI | InChI=1S/C32H39NO4SSi/c1-6-7-14-26-23-31(34)33(38(35,36)27-21-19-25(2)20-22-27)30(26)24-37-39(32(3,4)5,28-15-10-8-11-16-28)29-17-12-9-13-18-29/h1,8-13,15-22,26,30-31,34H,7,14,23-24H2,2-5H3/t26-,30+,31?/m0/s1 |
| InChIKey | LLCWROSSIDVWQW-OESBLSBNSA-N |
| Mol Weight | 561.8 g/mol |
| Molecular Formula | C32H39NO4SSi |
| Exact Mass | 561.236906 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3GIl1EByTMx |
|---|---|
| Name | (2sr,4S,5S)-5-{[(tert-butyldiphenylsilyl)oxy]methyl}-4-(but-3-ynyl)-1-tosylpyrrolidin-2-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 561.236906445 u |
| Formula | C32H39NO4SSi |
| InChI | InChI=1S/C32H39NO4SSi/c1-6-7-14-26-23-31(34)33(38(35,36)27-21-19-25(2)20-22-27)30(26)24-37-39(32(3,4)5,28-15-10-8-11-16-28)29-17-12-9-13-18-29/h1,8-13,15-22,26,30-31,34H,7,14,23-24H2,2-5H3/t26-,30+,31?/m0/s1 |
| InChIKey | LLCWROSSIDVWQW-OESBLSBNSA-N |
| Molecular Weight | 561.812 g/mol |
| SMILES | C=1(S(N2C(C[C@@]([C@]2(CO[Si](C(C)(C)C)(C=2C=CC=CC2)C2=CC=CC=C2)[H])(CCC#C)[H])O)(=O)=O)C=CC(=CC1)C |